[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine

C13H17F3N4 — CID 105248982

IUPAC[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
SMILESCn1nc(CC(CCC(F)(F)F)NN)c2ccccc21
InChIInChI=1S/C13H17F3N4/c1-20-12-5-3-2-4-10(12)11(19-20)8-9(18-17)6-7-13(14,15)16/h2-5,9,18H,6-8,17H2,1H3
InChIKeyGGJGYLSLBWCAQW-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.29
Rot. Bonds5

About [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine

[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine (PubChem CID 105248982) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
PubChem CID105248982
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
SMILESCn1nc(CC(CCC(F)(F)F)NN)c2ccccc21
InChIInChI=1S/C13H17F3N4/c1-20-12-5-3-2-4-10(12)11(19-20)8-9(18-17)6-7-13(14,15)16/h2-5,9,18H,6-8,17H2,1H3
InChIKeyGGJGYLSLBWCAQW-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
[1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198621
[3-ethyl-1-(1-methylindazol-3-yl)heptan-2-yl]hydrazine
CID 105318169
[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105318176
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105318206
[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105313825
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
CID 112738161
(5,5,5-trifluoro-1-quinolin-4-ylpentan-2-yl)hydrazine
CID 105248989
2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 112566831

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine (CID 105248982) is [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine is Cn1nc(CC(CCC(F)(F)F)NN)c2ccccc21.
What is the InChIKey of [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine?
The InChIKey is GGJGYLSLBWCAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-20-12-5-3-2-4-10(12)11(19-20)8-9(18-17)6-7-13(14,15)16/h2-5,9,18H,6-8,17H2,1H3.
What are the key properties of [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine?
[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine has a molecular weight of 286.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105248982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).